Compound Detail
CHEMBL3134620
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Basic Information
| ChEMBL ID | CHEMBL3134620 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDMOBMKMUWYXTL-UHFFFAOYSA-N |
7
Targets
8
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
5.10
ALogP
5
HBA
1
HBD
81.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 6.81 | 6.81 | 154.0 | 2 |
| HepG2 CHEMBL395 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.3 | 6.3 | 503.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 6.24 | 6.24 | 573.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.46 | 5.46 | 3510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 153.99 | nM | 6.81 | Inhibition of human PI3Kgamma | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 154.0 | nM | 6.81 | Inhibition of human PI3Kgamma | - |
| HepG2 | IC50 | = | 500.0 | nM | 6.3 | Anticancer activity against human HepG2 cells by MTT assay | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 503.0 | nM | 6.3 | Inhibition of human PI3Kalpha | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 573.0 | nM | 6.24 | Inhibition of human PI3Kbeta | - |
| A549 | IC50 | = | 720.0 | nM | 6.14 | Anticancer activity against human A549 cells by MTT assay | - |
| HeLa | IC50 | = | 1840.0 | nM | 5.74 | Anticancer activity against human HeLa cells by MTT assay | - |
| MCF7 | IC50 | = | 3510.0 | nM | 5.46 | Anticancer activity against human MCF7 cells by MTT assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00301A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| - | 10.1039/C3MD00301A | MCF7 | 1 |
| - | 10.1039/C3MD00301A | A549 | 1 |
| - | 10.1039/C3MD00301A | HeLa | 1 |
| - | 10.1039/C3MD00301A | HepG2 | 1 |
| - | 10.1039/C3MD00301A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | 1 |
| - | 10.1039/C3MD00301A | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine